Spectral functions #366
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Spectral functions #366
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change .gitignore
Also add reciprocal basis vectors to the Lattice base class and more plotting functions.
Simple first draft of SpectralSimulation. Processing on the output i.e. fourier transforms, etc. will be done in seperate helper class SimulationPostProcessor
Better handle loading ground state data, improve readability of class and minor fixes.
Furthermore introduce subclass SpectralSimulationExperimental in time_evolution.py which utilizes the MPSEnvironmentJW.
Introduce a base class SimulationPostProcessor and a SpectralFunctionProcessor class.
…on_processing.py Functions for linear prediction are introduced on the module level and only called by the post-processing class, for a potential usage outside of the class.
…sing.py Call post-processing by default in SpectralSimulation in time_evolution.py
Combine separate classes for 1D and 2D into one and use conditional checks. Furthermore, make methods to reduce points more flexible.
…into spectral_functions
Change docstring and minor code improvements
Change intervace to SpectralSimulation s.t. ground_state_filename can be passed in options. Rename simulation_processing to post_processing
Change function that caused a linting error in processing.py
Rename SpectralSimulation example Fix typos in Simulation
Improvements regarding saving results and avoiding doctest fails in github
Fix issues with unexpected indentation
Changes in mps.py and lattice.py adjusting for some reviewed changes by jhauschild to comply with tenpy coding conventions. Some typos in lattice.py
Change post_processing accordingly and change docstrings.
…on.py Furthermore correct docstrings involving Config objects. Keep SpectralSimulation as a subclass of TimeDependentCorrelation
This new module makes use of a DataLoader class, only giving functionality towards loading and saving (from simulation results). Custom functions should then be used with the DataLoader class.
Minor changes in docstrings. Furthermore fix bug in mps.py of MPSEnvironmentJW
Fix docstrings, new naming conventions...
Reduce the number of (unnecessary) parameters for linear prediction. The updated code is much simpler and allows linear prediction only on one-dimensional time series, however, an axis can be chosen.
Furthermore simplify loading gs_data for the same class
furthermore improve its docstring
The TimeDependentCorrelationExperimental and SpectralSimulationExperimental are removed. The simplified logic is incorporated in the TimeDependentCorrelation class. The feature to instantiate two engines is removed in order to simplify the class.
…into spectral_functions
This reverts commit e26ef71. As this commit broke the notebook test.
Together with the class SpectralSimulationEvolveBraKet. Those two simulations use two engines, one for the evolution of the bra and one for the ket.
This also adds tests for TimeDependentCorrelationEvolveBraKet, since the SpectralSimulation classes run all code of the TimeDependentCorrelation classes.
…into spectral_functions
…BraKet to __all__ in time_evolution
For Simulations include a function `_display_errors_during_run` that displays errors that occured during the run (i.e. in a post-processing step) which are stored in the attribute errors_during_run. Furthermore include the `default_post_processing` list as class-attribute in Simulation. Overwrite `init_measurements` instead of `_connect_measurements` in class `TimeDependentCorrelation`
The function `apply_local_op` of the MPS class now automatically adds a JW-string. The same holds true for the `MPSEnvironment.expectation_value` as of merging excitation_science_and_vumps
…ronment.expectation_value when charges are given
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Continuation of Spectral functions, Replaces and closes #293